| SpectraBase Compound ID | KqbKz8GMnBY |
|---|---|
| InChI | InChI=1S/C8H10O4/c1-10-5-7-3-6(11-2)4-8(9)12-7/h3-4H,5H2,1-2H3 |
| InChIKey | SVQASELWIDZSDS-UHFFFAOYSA-N |
| Mol Weight | 170.16 g/mol |
| Molecular Formula | C8H10O4 |
| Exact Mass | 170.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1H4hE5HkeEC |
|---|---|
| Name | Opuntiol, me derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.057908798 u |
| Formula | C8H10O4 |
| InChI | InChI=1S/C8H10O4/c1-10-5-7-3-6(11-2)4-8(9)12-7/h3-4H,5H2,1-2H3 |
| InChIKey | SVQASELWIDZSDS-UHFFFAOYSA-N |
| SMILES | C1(C=C(C=C(O1)COC)OC)=O |